6-Carboxy-8-chloro-5-methoxy-1,2,3,4-tetrahydroquinoline
Basic information
- Standard SMILES
COc1c(C(=O)O)cc(Cl)c2c1CCCN2- InChIKey
ZCOJXPUAJOYJPB-UHFFFAOYSA-N- Molecular formula
- C11H12ClNO3
- Average molar mass
- 241.67 g/mol
Names & identifiers
- Preferred name
- 6-Carboxy-8-chloro-5-methoxy-1,2,3,4-tetrahydroquinoline
- IUPAC
- 8-chloro-5-methoxy-1,2,3,4-tetrahydroquinoline-6-carboxylic acid
Names & synonyms
SCHEMBL7415324ZCOJXPUAJOYJPB-UHFFFAOYSA-N6-Carboxy-8-chloro-5-methoxy-1,2,3,4-tetrahydroquinoline
Database identifiers
- PubChem CID
- 14883232
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 274
Related reactions
2 records
Compound notes
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